182318

Source:http://linkedlifedata.com/resource/chembl/compound/182318

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C29H18N2O6/c1-36-25-12-9-18(26-30-22-14-17(8-11-24(22)37-26)16-5-3-2-4-6-16)15-23(25)31-27(32)20-10-7-19(29(34)35)13-21(20)28(31)33/h2-15H,1H3,(H,34,35)
chemicalCompound:standardIn...	DKPIMNKKMCCPNW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1N2C(=O)c3ccc(cc3C2=O)C(=O)O)c4oc5ccc(cc5n4)c6ccccc6
chemicalCompound:molecularF...	C29H18N2O6
chemicalCompound:moleculeId	182318
chemicalCompound:mwFreebase	490.463
chemicalCompound:alogp	5.021
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	109.94
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.309
chemicalCompound:acdLogP	5.065
chemicalCompound:acdLogD	1.962
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	490.463
chemicalCompound:acdMostBpk...	1.067
chemicalCompound:chemblId	CHEMBL111754
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:282318
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:65527, activity:65528, activity:2224234